BAS 01107554
TL;DR: BAS 01107554 (CAS 336180-54-2) is a chemical compound with molecular formula C22H18N4O2S and molecular weight 402.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide
Also Known As: BAS 01107554, N-([1,1'-Biphenyl]-2-yl)-2-((3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl)thio)acetamide,
N-Biphenyl-2-yl-2-[5-(2-hydroxy-phenyl)-2H-[1,2,4]triazol-3-ylsulfanyl]-ace tamide, N-[1,1'-biphenyl]-2-yl-2-{[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetamide, N-Biphenyl-2-yl-2-[5-(2-hydroxy-phenyl)-2H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
| Molecular Formula | C22H18N4O2S |
|---|---|
| Molecular Weight | 402.12 g/mol |
| LogP | 4.5751 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.11505 |
| Heavy Atoms | 29 |
| Complexity | 1128.3876 |
Chemical Identifiers
| CAS Number | 336180-54-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CSC3=NNC(=N3)C4=CC=CC=C4O |
Product Overview
BAS 01107554 (CAS 336180-54-2), with molecular formula C22H18N4O2S and molecular weight 402.12 g/mol. IUPAC: 2-[[5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide.
Chemical Property Profile of BAS 01107554
Property Insights of BAS 01107554
The XLogP value of 4.5751 indicates that BAS 01107554 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01107554. Following Lipinski's Rule of Five, BAS 01107554 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01107554?
The CAS number of BAS 01107554 is 336180-54-2.
What is the molecular formula of BAS 01107554?
The molecular formula of BAS 01107554 is C22H18N4O2S.
What is the molecular weight of BAS 01107554?
The molecular weight of BAS 01107554 is 402.12 g/mol.
Where can I buy BAS 01107554?
You can request a quote for BAS 01107554 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01107554?
Yes, KEHONG BIO provides custom synthesis services for BAS 01107554 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.